Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.62 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL25140253 | 0.81 | CYP2A6 (0.41) | CYP2A6CHRNA7ALDH1A1CA2KDM4E | |
| SCHEMBL13659121 | 0.77 | CYP2A6 (0.62) | CYP2A6CA2MAPTCLK1 | |
| SCHEMBL793305 | 0.77 | CYP2A6 (0.62) | CYP2A6CHRNA7ALDH1A1KDM4ENPC1 | |
| SCHEMBL2019385 | 0.77 | CYP2A6 (0.62) | CYP2A6ALDH1A1RAB9AMEN1KMT2A | |
| SCHEMBL3618744 | 0.77 | CYP2A6 (0.62) | CYP2A6CHRNA7ALDH1A1KDM4EGAA | |
| SCHEMBL1397680 | 0.77 | CYP2A6 (1.00) | CYP2A6CHRNA7ALDH1A1MAPTRAB9A | |
| SCHEMBL12683402 | 0.77 | CYP2A6 (0.61) | CYP2A6 | |
| SCHEMBL29629031 | 0.74 | CYP2A6 (1.00) | CYP2A6CA2CA1CA4 | |
| SCHEMBL56884 | 0.74 | CYP2A6 (1.00) | CYP2A6CA2CA1CA4 | |
| SCHEMBL7385105 | 0.73 | CYP2A6 (0.57) | CYP2A6CA2CA1CLK1APP |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |